General Information of the Compound
Compound ID |
CP0164285
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Compound Name |
(1R,2R)-1-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
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Structure |
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Formula |
C22H24ClN3O2
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Molecular Weight |
397.906
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Canonical SMILES |
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)[C@]12CCC(C[C@H]1O)C2(C)C
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InChI |
InChI=1S/C22H24ClN3O2/c1-13-15(23)6-4-7-16(13)28-17-8-5-11-26-19(17)24-25-20(26)22-10-9-14(12-18(22)27)21(22,2)3/h4-8,11,14,18,27H,9-10,12H2,1-3H3/t14?,18-,22+/m1/s1
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InChIKey |
HDTFLZKXPWINMP-NKEUZDSBSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound